Data quality metrics extracted from 7m2k.cif.gz by aB_cif2table1 from BUSTER (Global Phasing Ltd.). See also the PDBx/mmCIF dictionary and a MXLIMS-compatible JSON representation.

Experimental information for 7M2K at RCSB, PDBe, PDBj

Experiment
Method
_exptl.method
X-RAY DIFFRACTION
Experimental protocol
_diffrn_radiation.pdbx_diffrn_protocol
SINGLE WAVELENGTH
Source type
_diffrn_source.source
SYNCHROTRON
Source details
_diffrn_source.type
APS BEAMLINE 24-ID-C
Synchrotron site
_diffrn_source.pdbx_synchrotron_site
APS
Beamline
_diffrn_source.pdbx_synchrotron_beamline
24-ID-C
Temperature [K]
_diffrn.ambient_temp
100
Detector technology
_diffrn_detector.detector
PIXEL
Collection date
_diffrn_detector.pdbx_collection_date
2014-07-16
Detector
_diffrn_detector.type
DECTRIS PILATUS 6M-F
Wavelength(s) [Å]
_diffrn_source.pdbx_wavelength_list
0.97919
Software
Data reduction
_software.classification
xia2 (0.5.436-g557f8872-dials-1.7)
Data scaling
_software.classification
XSCALE (20171111)
Phasing
_software.classification
PHASER (2.8.2)
Refinement
_software.classification
PHENIX (1.19_4092)
General information
Spacegroup name
_symmetry.space_group_name_H-M
P 1
Unit cell parameters
_cell.length_{a,b,c} _cell.angle_{alpha,beta,gamma}
55.8 72.0 76.5 70.14 79.12 80.42
Wavelength
_diffrn_radiation_wavelength.wavelength
0.97919 Å

Data quality metricsOverallInnerShellOuterShell
Low resolution limit [Å] 
_reflns.d_resolution_low _reflns_shell.d_res_low
 67.300 67.300 2.530
High resolution limit [Å] 
_reflns.d_resolution_high _reflns_shell.d_res_high
 2.470 11.050 2.470
Rmerge 
_reflns.pdbx_Rmerge_I_obs _reflns_shell.Rmerge_I_obs
 0.049 0.023 0.839
Rmeas 
_reflns.pdbx_Rrim_I_all _reflns_shell.pdbx_Rrim_I_all
 0.066 0.031 1.135
Rpim 
_reflns.pdbx_Rpim_I_all _reflns_shell.pdbx_Rpim_I_all
 0.044 0.021 0.760
Total number of observations 
_reflns.pdbx_number_measured_all _reflns_shell.number_measured_all
 72984 809 5536
Total number unique 
_reflns.number_obs _reflns_shell.number_unique_obs
 34543 380 2606
<I/σ(I)> 
_reflns.pdbx_netI_over_sigmaI _reflns_shell.pdbx_netI_over_sigmaI_obs
 8.10 22.40 1.10
Completeness [%] 
_reflns.percent_possible_obs _reflns_shell.percent_possible_all
 88.1 86.6 89.0
Multiplicity 
_reflns.pdbx_redundancy _reflns_shell.pdbx_redundancy
 2.1 2.1 2.1
CC(1/2) 
_reflns.pdbx_CC_half _reflns_shell.pdbx_CC_half
 0.998 0.997 0.515

Refinement
PDB entry ID
_entry.id
7M2K
Deposition date
_pdbx_database_status.recvd_initial_deposition_date
2021-03-16
Resolution
_refine.ls_d_res_low _refine.ls_d_res_high
67.3 - 2.470 Å
Rwork/Rfree
_refine.ls_R_factor_R_work _refine.ls_R_factor_R_free
0.2187 / 0.2758
Structure solution method
_refine.pdbx_method_to_determine_struct
MOLECULAR REPLACEMENT
Starting model (for MR)
_refine.pdbx_starting_model
2OB4